ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.84	8.17	-9.9	0	5	0	56	449.304	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.84	0.21	-133.04	2	5	2	58	451.32	3	↓ MOL2 SDF SMILES Flexibase

62993102

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-2-[[4-(diethylamino)phenyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.31	10.78	-48.89	1	6	60	456.566	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.31	10.67	-12.17	0	6	59	455.558	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.31	11.53	-148.15	2	6	61	457.574	6	↓ MOL2 SDF SMILES Flexibase

62993142

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[[4-(diethylamino)phenyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.93	10.13	-50.03	1	6	60	442.539	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.93	10.03	-12.23	0	6	59	441.531	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.93	10.87	-152.57	2	6	61	443.547	6	↓ MOL2 SDF SMILES Flexibase

41644327

Analogs

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Popular Name: (2Z)-4-methyl-2-(p-tolylmethylene)-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-4-methyl-2-(p-tolylmethylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.90	9.05	-11.25	0	5	0	56	398.462	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.90	9.79	-41.59	1	5	1	57	399.47	3	↓ MOL2 SDF SMILES Flexibase

41644444

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(4-fluorophenyl)methylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	8.46	-11.42	0	5	0	56	402.425	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.62	9.2	-41.55	1	5	1	57	403.433	3	↓ MOL2 SDF SMILES Flexibase

41644562

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(4-chlorophenyl)methylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.13	8.9	-10.82	0	5	0	56	418.88	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.13	9.64	-41.21	1	5	1	57	419.888	3	↓ MOL2 SDF SMILES Flexibase

41644671

Analogs

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(2,4-dichlorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.74	9.32	-9.83	0	5	0	56	453.325	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.74	10.06	-42.19	1	5	1	57	454.333	3	↓ MOL2 SDF SMILES Flexibase

41644785

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(2-chlorophenyl)methylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.08	8.81	-11.32	0	5	0	56	418.88	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.08	9.55	-43.55	1	5	1	57	419.888	3	↓ MOL2 SDF SMILES Flexibase

41644902

Analogs

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Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(2-fluorophenyl)methylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	8.43	-11.88	0	5	0	56	402.425	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.57	9.17	-44.31	1	5	1	57	403.433	3	↓ MOL2 SDF SMILES Flexibase

41645019

Analogs

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Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-2-[(2-methoxyphenyl)methyle…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	7.74	-12.84	0	6	0	65	414.461	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.46	8.48	-43.81	1	6	1	66	415.469	4	↓ MOL2 SDF SMILES Flexibase

41645351

Analogs

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Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (2Z)-2-[(3,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	7.61	-14.36	0	7	0	74	444.487	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.10	8.36	-45.68	1	7	1	75	445.495	5	↓ MOL2 SDF SMILES Flexibase

41645449

Analogs

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Popular Name: (2Z)-4-methyl-8-(2-pyridylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-4-methyl-8-(2-pyridylmethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	7.52	-15.62	0	8	0	83	474.513	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.08	8.27	-47.05	1	8	1	85	475.521	6	↓ MOL2 SDF SMILES Flexibase

41645566

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3 (2Z)-2-[(2-chloro-6-fluoro-pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.20	8.88	-12.68	0	5	0	56	436.87	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.20	9.62	-42.57	1	5	1	57	437.878	3	↓ MOL2 SDF SMILES Flexibase

41645678

Analogs

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Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (2Z)-2-[(2,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.49	7.03	-13.28	0	7	0	74	444.487	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.49	7.77	-45.15	1	7	1	75	445.495	5	↓ MOL2 SDF SMILES Flexibase

41645792

Analogs

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (2Z)-2-[(2,5-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.49	7.02	-13.73	0	7	0	74	444.487	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.49	7.76	-42.74	1	7	1	75	445.495	5	↓ MOL2 SDF SMILES Flexibase

41645908

Analogs

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Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(4-isopropylphenyl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.96	10.29	-10.89	0	5	0	56	426.516	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.96	11.03	-41.42	1	5	1	57	427.524	4	↓ MOL2 SDF SMILES Flexibase

41646020

Analogs

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Popular Name: (2Z)-4-methyl-2-[(3-nitrophenyl)methylene]-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-4-methyl-2-[(3-nitrophenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.39	9.09	-14.04	0	8	0	101	429.432	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.39	9.83	-48.09	1	8	1	103	430.44	4	↓ MOL2 SDF SMILES Flexibase

41646131

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	9.02	-13.77	0	7	0	82	442.471	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.62	9.76	-45.29	1	7	1	83	443.479	5	↓ MOL2 SDF SMILES Flexibase

41646239

Analogs

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(2,6-dichlorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.71	9.26	-11.57	0	5	0	56	453.325	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.71	10	-41.77	1	5	1	57	454.333	3	↓ MOL2 SDF SMILES Flexibase

41646357

Analogs

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Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(4-ethoxyphenyl)methylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.88	8.61	-12.13	0	6	0	65	428.488	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.88	9.36	-43.36	1	6	1	66	429.496	5	↓ MOL2 SDF SMILES Flexibase

41646477

Analogs

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Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(2-ethoxyphenyl)methylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.84	8.68	-12.51	0	6	0	65	428.488	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.84	9.42	-43.73	1	6	1	66	429.496	5	↓ MOL2 SDF SMILES Flexibase

41646704

Analogs

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Popular Name: (2Z)-2-[(4-methoxyphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-2-[(4-methoxyphenyl)methyle…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	7.69	-12.39	0	6	0	65	414.461	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.51	8.43	-43.48	1	6	1	66	415.469	4	↓ MOL2 SDF SMILES Flexibase

41646819

Analogs

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Popular Name: (2Z)-2-[(3-methoxyphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-2-[(3-methoxyphenyl)methyle…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	7.67	-12.99	0	6	0	65	414.461	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.48	8.42	-41.23	1	6	1	66	415.469	4	↓ MOL2 SDF SMILES Flexibase

41646936

Analogs

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Popular Name: (2Z)-2-benzylidene-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-benzylidene-4-methyl-8-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	8.37	-11.28	0	5	0	56	384.435	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.45	9.12	-41.58	1	5	1	57	385.443	3	↓ MOL2 SDF SMILES Flexibase

41647037

Analogs

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Popular Name: (2Z)-4-methyl-8-(2-pyridylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-4-methyl-8-(2-pyridylmethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	6.91	-15.43	0	8	0	83	474.513	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.08	7.65	-46.56	1	8	1	85	475.521	6	↓ MOL2 SDF SMILES Flexibase

41647119

Analogs

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Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3 (2Z)-2-[(5-bromo-2-methoxy-pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	8.35	-12.01	0	6	0	65	493.357	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.25	9.09	-41.09	1	6	1	66	494.365	4	↓ MOL2 SDF SMILES Flexibase

41647219

Analogs

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Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(2-bromophenyl)methylene…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	8.89	-11.24	0	5	0	56	463.331	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.21	9.63	-43.58	1	5	1	57	464.339	3	↓ MOL2 SDF SMILES Flexibase

41647339

Analogs

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Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(3-fluorophenyl)methylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	8.44	-12.52	0	5	0	56	402.425	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.59	9.18	-40.06	1	5	1	57	403.433	3	↓ MOL2 SDF SMILES Flexibase

41647454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-2-[(3-chlorophenyl)methylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	8.89	-11.76	0	5	0	56	418.88	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.11	9.64	-39.87	1	5	1	57	419.888	3	↓ MOL2 SDF SMILES Flexibase

41647557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(3-bromophenyl)methylene…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	8.99	-11.67	0	5	0	56	463.331	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.24	9.73	-39.85	1	5	1	57	464.339	3	↓ MOL2 SDF SMILES Flexibase

41647683

Analogs

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Popular Name: (2Z)-4-methyl-2-(m-tolylmethylene)-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-4-methyl-2-(m-tolylmethylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.88	9.04	-11.15	0	5	0	56	398.462	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.88	9.78	-41.49	1	5	1	57	399.47	3	↓ MOL2 SDF SMILES Flexibase

41647836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-(o-tolylmethylene)-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-4-methyl-2-(o-tolylmethylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.85	8.94	-11.13	0	5	0	56	398.462	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.85	9.68	-41.45	1	5	1	57	399.47	3	↓ MOL2 SDF SMILES Flexibase

41648146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-ethylphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(4-ethylphenyl)methylene…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	9.82	-11.05	0	5	0	56	412.489	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.37	10.56	-41.47	1	5	1	57	413.497	4	↓ MOL2 SDF SMILES Flexibase

41648305

Analogs

9423004
9423749
13692664

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(4-tert-butylphenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.16	10.7	-10.92	0	5	0	56	440.543	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.16	11.44	-41.34	1	5	1	57	441.551	4	↓ MOL2 SDF SMILES Flexibase

41648503

Analogs

9423004

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(4-nitrophenyl)methylene]-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-4-methyl-2-[(4-nitrophenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	9.09	-14.02	0	8	0	101	429.432	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.41	9.83	-44.73	1	8	1	103	430.44	4	↓ MOL2 SDF SMILES Flexibase

41648682

Analogs

20649453
20650679
9421881

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-bromophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-2-[(4-bromophenyl)methylene…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	9	-10.76	0	5	0	56	463.331	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.26	9.74	-41.09	1	5	1	57	464.339	3	↓ MOL2 SDF SMILES Flexibase

41648869

Analogs

20646585
13691429

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3,4-dichlorophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(3,4-dichlorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.74	9.35	-11.78	0	5	0	56	453.325	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.74	10.09	-40.02	1	5	1	57	454.333	3	↓ MOL2 SDF SMILES Flexibase

41649059

Analogs

9421054
9423922

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (2Z)-2-[(2,3-dimethoxyphenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	7.73	-13.53	0	7	0	74	444.487	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.27	8.47	-46	1	7	1	75	445.495	5	↓ MOL2 SDF SMILES Flexibase

41649237

Analogs

9421054
9423922

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-8-(2-pyridylmethyl)-2-[(2,3,4-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-4-methyl-8-(2-pyridylmethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	7.68	-14.07	0	8	0	83	474.513	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.28	8.42	-47.22	1	8	1	85	475.521	6	↓ MOL2 SDF SMILES Flexibase

41651736

Analogs

9423004
13692358

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-dimethylaminophenyl)methylene]-4-methyl-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-2-[(4-dimethylaminophenyl)m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	8.77	-12.63	0	6	0	59	427.504	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.56	9.55	-42.81	1	6	1	60	428.512	4	↓ MOL2 SDF SMILES Flexibase

41652421

Analogs

13692664
9423749

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(p-tolylmethylene)-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-(p-tolylmethylene)-8-(2-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	8.4	-11.31	0	5	0	56	384.435	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.52	9.14	-41.73	1	5	1	57	385.443	3	↓ MOL2 SDF SMILES Flexibase

41652636

Analogs

13731223
13692664
9423749

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-fluorophenyl)methylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	7.78	-11.44	0	5	0	56	388.398	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	8.52	-41.82	1	5	1	57	389.406	3	↓ MOL2 SDF SMILES Flexibase

41652874

Analogs

20646585
13691429
9423749

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-chlorophenyl)methylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	8.23	-10.91	0	5	0	56	404.853	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.75	8.97	-41.34	1	5	1	57	405.861	3	↓ MOL2 SDF SMILES Flexibase

41653102

Analogs

13691429
20646585
9423749

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-2-[(2,4-dichlorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	8.67	-9.86	0	5	0	56	439.298	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.36	9.4	-42.38	1	5	1	57	440.306	3	↓ MOL2 SDF SMILES Flexibase

41654580

Analogs

13691429
13731223
20646585

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-2-[(2-chloro-6-fluoro-pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.82	8.21	-12.66	0	5	0	56	422.843	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.82	8.95	-42.69	1	5	1	57	423.851	3	↓ MOL2 SDF SMILES Flexibase

41655204

Analogs

13692664
9423749
9423004

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-2-[(4-isopropylphenyl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	9.64	-10.92	0	5	0	56	412.489	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.59	10.38	-41.59	1	5	1	57	413.497	4	↓ MOL2 SDF SMILES Flexibase

41655442

Analogs

9423749
13692664
9423004

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-nitrophenyl)methylene]-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(3-nitrophenyl)methylene…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	8.42	-13.96	0	8	0	101	415.405	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.01	9.15	-48.46	1	8	1	103	416.413	4	↓ MOL2 SDF SMILES Flexibase

41655676

Analogs

13692664
9423749
13730567

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.25	8.37	-13.72	0	7	0	82	428.444	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.25	9.11	-45.51	1	7	1	83	429.452	5	↓ MOL2 SDF SMILES Flexibase

41655906

Analogs

13691429

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-2-[(2,6-dichlorophenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.34	8.6	-11.63	0	5	0	56	439.298	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.34	9.33	-41.92	1	5	1	57	440.306	3	↓ MOL2 SDF SMILES Flexibase

41656129

Analogs

13692664
9423749

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-8-(2-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-ethoxyphenyl)methylen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	7.96	-12.25	0	6	0	65	414.461	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.51	8.71	-43.56	1	6	1	66	415.469	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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